论文信息 - A molecular dynamic calculation of the structure of B2O3 glass

A molecular dynamic calculation of the structure of B2O3 glass

A molecular dynamic calculation on vitreous B2O3 reveals a structure in which boron is trigonally coordinated to oxygen. Boron atoms are at the center of approximately regular triangles. The triangles are connected at apices to form a three‐dimensional network of interconnected ribbons and sheets. No tendency to form boroxol groups is found and a reinterpretation of the x‐ray data of Mozzi and Warren is suggested. A comparison is made with the molecular dynamic structure of silica.

Thomas F. Soules | T. Soules

[1] T. Soules. A molecular dynamic calculation of the structure of sodium silicate glasses , 1979 .

[2] C. Angell,et al. Molecular dynamics studies of the vitreous state: Simple ionic systems and silica , 1976 .

[3] A. Narten,et al. Structure and Motion in Liquid BeF2, LiBeF3, and LiF from Molecular Dynamics Calculations , 1972 .

[4] L. V. Woodcock,et al. Ion clusters in molten K2MgCl4 , 1972 .

[5] F. Stillinger,et al. Molecular Dynamics Study of Liquid Water , 1971 .

[6] R. Mozzi,et al. The structure of vitreous boron oxide , 1970 .

[7] B. T. Gorres,et al. The crystal structure of trigonal diboron trioxide , 1970 .

[8] D. Schiff. Computer "Experiments" on Liquid Metals , 1969 .

[9] R. Mozzi,et al. The structure of vitreous silica , 1969 .

[10] Stuart A. Rice,et al. Modern Aspects of the Vitreous State , 1961 .

[11] M. Milberg,et al. Vibrational Spectra of Vitreous B2O3.xH2O , 1960 .

[12] A. Silver. Nuclear Magnetic Resonance in B2O3–H2O Glasses and Boric Acids , 1960 .

[13] J. Despujols. Étude aux rayons X de l'oxyde borique vitreux , 1958 .

[14] J. Goubeau,et al. RAMAN-Spektren und Struktur von Boroxol-Verbindungen , 1953 .

[15] W. Zachariasen,et al. THE ATOMIC ARRANGEMENT IN GLASS , 1932 .